Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50290437'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50290437 ((R)-3-(((S)-1-(methylamino)-1-oxo-3-phenylpropan-2...) Show SMILES CCCCCCCC[C@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC Show InChI InChI=1S/C22H34N2O4/c1-3-4-5-6-7-11-14-18(16-20(25)26)21(27)24-19(22(28)23-2)15-17-12-9-8-10-13-17/h8-10,12-13,18-19H,3-7,11,14-16H2,1-2H3,(H,23,28)(H,24,27)(H,25,26)/t18-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Inhibition of MMP2				Bioorg Med Chem 15: 2223-68 (2007) Article DOI: 10.1016/j.bmc.2007.01.011 BindingDB Entry DOI: 10.7270/Q2571DBD
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50290437 ((R)-3-(((S)-1-(methylamino)-1-oxo-3-phenylpropan-2...) Show SMILES CCCCCCCC[C@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC Show InChI InChI=1S/C22H34N2O4/c1-3-4-5-6-7-11-14-18(16-20(25)26)21(27)24-19(22(28)23-2)15-17-12-9-8-10-13-17/h8-10,12-13,18-19H,3-7,11,14-16H2,1-2H3,(H,23,28)(H,24,27)(H,25,26)/t18-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound concentration for 50% inhibition of human recombinant gelatinase A (MMP-2).				Bioorg Med Chem Lett 7: 193-198 (1997) Article DOI: 10.1016/S0960-894X(96)00602-6 BindingDB Entry DOI: 10.7270/Q2057FXG
					More data for this Ligand-Target Pair